2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole

C21H22Cl2FN7O — CID 121478270

About 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole

2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole (PubChem CID 121478270) has the molecular formula C21H22Cl2FN7O and a molecular weight of 478.36 g/mol. Its IUPAC name is 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
• PubChem CID: 121478270
• Molecular Formula: C21H22Cl2FN7O
• Molecular Weight: 478.36 g/mol
• Exact Mass: 477.12
• IUPAC Name: 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
• SMILES: C[C@H](c1c(Cl)ccc(F)c1Cl)N1CCNc2nnc(-c3nnc(C4CCNCC4)o3)cc21
• InChI: InChI=1S/C21H22Cl2FN7O/c1-11(17-13(22)2-3-14(24)18(17)23)31-9-8-26-19-16(31)10-15(27-28-19)21-30-29-20(32-21)12-4-6-25-7-5-12/h2-3,10-12,25H,4-9H2,1H3,(H,26,28)/t11-/m1/s1
• InChIKey: RBKIHRXGURBCIM-LLVKDONJSA-N
• XLogP: 4.43
• TPSA: 92.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.36
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?

The IUPAC name of 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole (CID 121478270) is 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?

The canonical SMILES for 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole is C[C@H](c1c(Cl)ccc(F)c1Cl)N1CCNc2nnc(-c3nnc(C4CCNCC4)o3)cc21.

What is the InChIKey of 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?

The InChIKey is RBKIHRXGURBCIM-LLVKDONJSA-N. The full InChI is InChI=1S/C21H22Cl2FN7O/c1-11(17-13(22)2-3-14(24)18(17)23)31-9-8-26-19-16(31)10-15(27-28-19)21-30-29-20(32-21)12-4-6-25-7-5-12/h2-3,10-12,25H,4-9H2,1H3,(H,26,28)/t11-/m1/s1.

What are the key properties of 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?

2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole has a molecular weight of 478.36 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-c]pyridazin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 121478270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).